N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]quinazoline-2-sulfonamide

Systemtic Name: N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]quinazoline-2-sulfonamide Openeye Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]quinazoline-2-sulfonamide CAS Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]methyl]phenyl]-2-quinazolinesulfonamide IUPAC Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]quinazoline-2-sulfonamide Traditional Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]-cyclopropyl-methyl]phenyl]quinazoline-2-sulfonamide Formula: C33H31N3O5S MolecularWeight: 581.68134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=NC6=CC=CC=C6C=N5

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=NC6=CC=CC=C6C=N5

InChI

InChI=1S/C33H31N3O5S/c1-2-22(17-21-9-4-3-5-10-21)29-19-28(37)31(32(38)41-29)30(23-15-16-23)24-12-8-13-26(18-24)36-42(39,40)33-34-20-25-11-6-7-14-27(25)35-33/h3-14,18-20,22-23,30,36,38H,2,15-17H2,1H3